DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL2385279_dpp4

Atoms: 216
Models: 9
Best Energy: -7.62 kcal/mol

Binding Energies:
  • Pose 1: -7.62 kcal/mol
  • Pose 2: -7.552 kcal/mol
  • Pose 3: -7.522 kcal/mol
  • Pose 4: -7.497 kcal/mol
  • Pose 5: -7.415 kcal/mol
  • Pose 6: -7.397 kcal/mol
  • Pose 7: -7.359 kcal/mol
  • Pose 8: -7.208 kcal/mol
  • Pose 9: -7.191 kcal/mol
CHEMBL2385279_dpp4
Energy Plot
RMSD Scatter Plot